Information card for entry 7706431

Structure parameters

• Formula: C72 H98 Li4 N12 O37 S6 Zn4
• Calculated formula: C72 H96 Li4 N12 O37 S6 Zn4
• Title of publication: Heterometallic MOFs constructed from thiophene and furandicarboxylate ligands for heavy metal luminescence sensing.
• Authors of publication: Sapianik, Aleksandr A.; Barsukova, Marina O.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Fedin, Vladimir P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 2807 - 2814
• a: 17.9814 ± 0.0004 Å
• b: 11.0946 ± 0.0002 Å
• c: 27.7903 ± 0.0007 Å
• α: 90°
• β: 90.1 ± 0.002°
• γ: 90°
• Cell volume: 5544.1 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No